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ENT-ALPINNAMIN_A;(2-E)-{2,4-DIHYDROXY-3-[(1-R,2-E,5-S)-5-HYDROXY-1-(4-HYDROXYPHENYL)-7-PHENYL-2-HEPTEN-1-YL]-6-METHOXYPHENYL}-3-PHENYL-
SpectraBase Compound ID CQxwFJ97uVZ
InChI InChI=1S/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29-/m1/s1
InChIKey DJTINKKXBIBDGX-TXUQEAEVSA-N
Mol Weight 550.7 g/mol
Molecular Formula C35H34O6
Exact Mass 550.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9O2582wa3T2
Name ENT-ALPINNAMIN_A;(2-E)-{2,4-DIHYDROXY-3-[(1-R,2-E,5-S)-5-HYDROXY-1-(4-HYDROXYPHENYL)-7-PHENYL-2-HEPTEN-1-YL]-6-METHOXYPHENYL}-3-PHENYL-
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34O6
InChI InChI=1S/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29-/m1/s1
InChIKey DJTINKKXBIBDGX-TXUQEAEVSA-N
Literature Reference Author J.W.NAM,G.Y.KANG,A.R.HAN,D.LEE,Y.S.LEE,E.K.SEO
Literature Reference Citation J.NAT.PROD.,74,2109(2011)
Literature Reference DOI 10.1021/np200355n
Molecular Weight 550.651 g/mol
Sample ID 39351
Solvent ACETONE-D6